2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide

C27H34N4O4 — CID 30008699

IUPAC2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1ccc(CCC2CCN(Cc3nc(CC(=O)Nc4ccccc4OC)no3)CC2)cc1
InChIInChI=1S/C27H34N4O4/c1-3-34-22-12-10-20(11-13-22)8-9-21-14-16-31(17-15-21)19-27-29-25(30-35-27)18-26(32)28-23-6-4-5-7-24(23)33-2/h4-7,10-13,21H,3,8-9,14-19H2,1-2H3,(H,28,32)
InChIKeyMXZXJTJAWYFWAN-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.50
Rot. Bonds11

About 2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide

2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 30008699) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID30008699
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1ccc(CCC2CCN(Cc3nc(CC(=O)Nc4ccccc4OC)no3)CC2)cc1
InChIInChI=1S/C27H34N4O4/c1-3-34-22-12-10-20(11-13-22)8-9-21-14-16-31(17-15-21)19-27-29-25(30-35-27)18-26(32)28-23-6-4-5-7-24(23)33-2/h4-7,10-13,21H,3,8-9,14-19H2,1-2H3,(H,28,32)
InChIKeyMXZXJTJAWYFWAN-UHFFFAOYSA-N
XLogP4.50
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27100650
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 18226789
N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 31340973
N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148418
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 154755930
2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16587947
N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 17431109
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
(2S)-6-[(4-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42213377
N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 51924806
N-(2-methoxyphenyl)-2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835117
N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120835126

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (CID 30008699) is 2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is CCOc1ccc(CCC2CCN(Cc3nc(CC(=O)Nc4ccccc4OC)no3)CC2)cc1.
What is the InChIKey of 2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is MXZXJTJAWYFWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-3-34-22-12-10-20(11-13-22)8-9-21-14-16-31(17-15-21)19-27-29-25(30-35-27)18-26(32)28-23-6-4-5-7-24(23)33-2/h4-7,10-13,21H,3,8-9,14-19H2,1-2H3,(H,28,32).
What are the key properties of 2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 478.59 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 30008699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).